N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-3,5-dimethoxy-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3,5-dimethoxy-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3,5-dimethoxybenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3,5-dimethoxy-benzamide Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C24H26N2O3S/c1-28-21-11-20(12-22(13-21)29-2)24(27)25-14-23(19-8-10-30-16-19)26-9-7-17-5-3-4-6-18(17)15-26/h3-6,8,10-13,16,23H,7,9,14-15H2,1-2H3,(H,25,27)